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X-ray Structures

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Page 2 of 29, showing 20 records  out of 579 total, starting on record 21 structures.
Click on the title of a structure below to see more information about that structure.

Target IDP91546          community request

Title: Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with virginiamycin M1
Authors: Stogios PJ, Minasov G, Wawrzak Z, Evdokimova E, Yim V, Krishnamoorthy M, Di Leo R, Courvalin P, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4HUS (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: virginiamycin m1
Other ligands: 1,2-ethanediol, chloride ion, di(hydroxyethyl)ether, sodium ion, sulfate ion, triethylene glycol
R: 18.6%
Rfree: 22.8%
Resolution: 2.36Å
Deposited: 2012-11-03
Released: 2012-11-21
Title: Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with acetyl coenzyme A
Authors: Stogios PJ, Minasov G, Wawrzak Z, Evdokimova E, Yim V, Krishnamoorthy M, Di Leo R, Courvalin P, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4HUR (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: acetyl coenzyme A
Other ligands: 1,2-ethanediol, chloride ion, sodium ion, sulfate ion
R: 16.8%
Rfree: 20.2%
Resolution: 2.15Å
Deposited: 2012-11-03
Released: 2012-11-14

Target IDP91126          community request

Title: 2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.
Authors: Minasov, G. Shuvalova, L. Dubrovska, I. Winsor, J. Bagnoli, F. Falugi, F. Bottomley, M. Grandi, G. Anderson, W.F. Center for Structural Genomics of Infectious Diseases (CSGID).
PDB 4HS7 (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: 3,6,9,12,15,18-hexaoxaicosane-1,20-diol, di(hydroxyethyl)ether, Potassium
R: 17%
Rfree: 21.9%
Resolution: 2.6Å
Deposited: 2012-10-29
Released: 2012-11-07

Target IDP90526          community request

Title: Crystal Structure of Inorganic Polyphosphate/ATP-NAD Kinase from Yersinia pestis
Authors: Kim, Y., Maltseva, N., Jedrzejczak, R., Anderson, W.F., Joachimiak, A., CSGID
PDB 4HAO (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: acetic acid, formic acid, malonate ion
R: 19%
Rfree: 24.6%
Resolution: 2.55Å
Deposited: 2012-09-27
Released:

Target IDP91966          community request

Title: Crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine, form 2
Authors: Stogios PJ, Wawrzak Z, Kudritska M, Minasov G, Yim V, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4H5G (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: 1,2-ethanediol, acetate ion, di(hydroxyethyl)ether, glycerol, sulfate ion
R: 15.7%
Rfree: 18.6%
Resolution: 1.78Å
Deposited: 2012-09-18
Released: 2012-10-03
Title: Crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine, form 1
Authors: Stogios PJ, Wawrzak Z, Kudritska M, Minasov G, Yim V, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4H5F (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: 1,2-ethanediol, acetate ion, chloride ion, di(hydroxyethyl)ether, glycerol, sulfate ion, triethylene glycol
R: 16.6%
Rfree: 20%
Resolution: 1.9Å
Deposited: 2012-09-18
Released: 2012-10-03

Target IDP91955          community request

Title: Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to Bis-tris propane
Authors: Stogios PJ, Wawrzak Z, Kudritska M, Minasov G, Yim V, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4H59 (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propyla mino]-2-hydroxymethyl-propane-1,3-diol, chloride ion, glycerol
R: 16.7%
Rfree: 19.1%
Resolution: 1.66Å
Deposited: 2012-09-18
Released: 2012-10-03

Target IDP90163          community request

Title: 1.95 Angstrom Crystal Structure of of Type I 3-Dehydroquinate Dehydratase (aroD) from Clostridium difficile with Covalent Modified Comenic Acid.
Authors: Minasov, G. Light, S. H. Shuvalova, L. Duban, M-E. Dubrovska, I. Winsor, J. Papazisi, L. Anderson, W.F. Center for Structural Genomics of Infectious Diseases (CSGID).
PDB 4H3D (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: modified comenic acid
Other ligands: acetate ion, di(hydroxyethyl)ether, triethylene glycol
R: 15.8%
Rfree: 19.9%
Resolution: 1.95Å
Deposited: 2012-09-13
Released:

Target IDP91384          community request

Title: Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus in complex with carbamoyl phosphate and L-norvaline
Authors: Shabalin, I.G., Winsor, J., Grimshaw, S., Osinski, T., Chordia, M.D., Shuvalova, L., Anderson, W.F., Minor, W., Center for Structural Genomics of Infectious Diseases
PDB 4H31 (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: carbamoyl phosphate
Other ligands: 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol, chloride ion, di(hydroxyethyl)ether, norvaline
R: 13.7%
Rfree: 16.7%
Resolution: 1.7Å
Deposited: 2012-09-13
Released: 2012-09-26

Target IDP91762          community request

Title: Crystal structure of MccF homolog from Listeria monocytogenes EGD-e
Authors: Nocek, B., Tikhonov, A., Severinov, K., Anderson, W.F., Joachimiak, A., CSGID
PDB 4H1H (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: sulfate ion
R: 20.9%
Rfree: 25.3%
Resolution: 2.46Å
Deposited: 2012-09-10
Released: 2012-10-17

Target IDP90922          community request

Title: 1.50 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Shikimate
Authors: S.H.Light, G.Minasov, M.-E.Duban, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson
PDB 4GUJ (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
Other ligands: zinc ion
R: 15.7%
Rfree: 18.2%
Resolution: 1.5Å
Deposited: 2012-08-30
Released:
Title: 1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate
Authors: S.H.Light, G.Minasov, M.-E.Duban, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson
PDB 4GUI (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: (1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
Other ligands: nickel (II) ion
R: 16.1%
Rfree: 18.8%
Resolution: 1.78Å
Deposited: 2012-08-30
Released:
Title: 1.95 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2)
Authors: S.H.Light, G.Minasov, M.-E.Duban, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson
PDB 4GUH (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
Other ligands: nickel (II) ion
R: 19.3%
Rfree: 24.7%
Resolution: 1.95Å
Deposited: 2012-08-30
Released:
Title: 1.62 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1)
Authors: S.H.Light, G.Minasov, M.-E.Duban, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson
PDB 4GUG (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
Other ligands: chloride ion
R: 17.5%
Rfree: 20.8%
Resolution: 1.62Å
Deposited: 2012-08-30
Released:
Title: 1.5 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) E86A Mutant
Authors: S.H.Light, G.Minasov, M.-E.Duban, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson
PDB 4GUF (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: chloride ion
R: 16.8%
Rfree: 19.1%
Resolution: 1.5Å
Deposited: 2012-08-30
Released:

Target IDP91963          community request

Title: 1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine
Authors: Halavaty, A.S. Kudritska, M. Wawrzak, Z. Stogios, P.J. Yim, V. Savchenko, A. Anderson, W.F. Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4GNR (PDBSUM) (Profunc) (GPSS) (MMDB)
R: 12.7%
Rfree: 14.7%
Resolution: 1Å
Deposited: 2012-08-17
Released:

Target IDP91191          community request

Title: Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1
Authors: P.J.Stogios, E.Evdokimova, Z.Wawrzak, G.Minasov, O.Egorova, R.Di Leo, T.Shakya, P.Spanogiannopoulos, N.Todorovic, A.Capretta, G.D.Wright, A.Savchenko, W.F.Anderson, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4GKI (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: kanamycin a
Other ligands: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine, acetate ion, chloride ion, di(hydroxyethyl)ether, sodium ion
R: 16.8%
Rfree: 21.6%
Resolution: 1.88Å
Deposited: 2012-08-11
Released: 2012-09-06
Title: Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1
Authors: P.J.Stogios, E.Evdokimova, Z.Wawrzak, G.Minasov, O.Egorova, R.Di Leo, T.Shakya, P.Spanogiannopoulos, N.Todorovic, A.Capretta, G.D.Wright, A.Savchenko, W.F.Anderson, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 4GKH (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: kanamycin a
Other ligands: 1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyri midin-4-amine, acetate ion, chloride ion, di(hydroxyethyl)ether, sodium ion
R: 16.7%
Rfree: 21.6%
Resolution: 1.86Å
Deposited: 2012-08-11
Released: 2012-09-06

Target IDP90547          community request

Title: Crystal structure of 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase (hisA)
Authors: B.Nocek, M.Gu, K.Kwon, W.F.Anderson, A.Joachimiak, Center for Structural Genomics of Infectious Diseases(CSGID)
PDB 4GJ1 (PDBSUM) (Profunc) (GPSS) (MMDB)
R: 18.3%
Rfree: 22.9%
Resolution: 2.15Å
Deposited: 2012-08-09
Released: 2012-09-11

Target IDP91375          community request

Title: 1.75 Angstrom Crystal Structure of Transcriptional Regulator ftom Vibrio vulnificus.
Authors: Minasov, G. Shuvalova, L. Dubrovska, I. Winsor, J. Grimshaw, S. Papazisi, L. Anderson, W.F. Center for Structural Genomics of Infectious Diseases (CSGID).
PDB 4GHJ (PDBSUM) (Profunc) (GPSS) (MMDB)
R: 18.4%
Rfree: 22.3%
Resolution: 1.75Å
Deposited: 2012-08-07
Released: 2012-08-15
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